[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone

C18H20N2O — CID 134408479

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
SMILESNCC1CCCN1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H20N2O/c19-13-15-9-6-12-20(15)18(21)17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13,19H2
InChIKeyPAUUQTOKDAWQQP-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.92
Rot. Bonds3

About [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 134408479) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
PubChem CID134408479
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
SMILESNCC1CCCN1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H20N2O/c19-13-15-9-6-12-20(15)18(21)17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13,19H2
InChIKeyPAUUQTOKDAWQQP-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 119631354
[(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 14068808
[2-(2-phenoxyethyl)azepan-1-yl]-(2-phenylphenyl)methanone
CID 10179058
[2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 10135575
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 28706937
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
CID 124696902
[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone
CID 126432406
[2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 10136736
1-(2-phenylbenzoyl)azetidine-2-carboxamide
CID 67018285

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone (CID 134408479) is [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone is NCC1CCCN1C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is PAUUQTOKDAWQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-13-15-9-6-12-20(15)18(21)17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13,19H2.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 280.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 134408479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).